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Compound Detail

CHEMBL233861

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CNc1c(Nc2cc(-c3ccccc3)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233861
Phase Preclinical
Structure Type MOL
InChI Key PVKKLIPSNABFRT-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

542.6
MW (Da)
3.99
ALogP
7
HBA
2
HBD
91.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31FN4O4
MW 542.61
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
17446072 10.1016/j.bmcl.2007.03.104 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine